[mattwthompson]

Description

• Add back enthalpy of vaporization calculation
• Add back enthalpy of mixing calculation

Checklist

• Add tests
• Lint
• Update docstrings
• AI disclosure - some combination of Copilot and Claude was used

[codecov-commenter]

Codecov Report

❌ Patch coverage is 5.63380% with 67 lines in your changes missing coverage. Please review.
✅ Project coverage is 81.56%. Comparing base (32badc2) to head (5a9ec9f).

Files with missing lines	Patch %	Lines
tyff/targets/new_thermo.py	2.98%	65 Missing ⚠️
tyff/compute/workflow.py	50.00%	2 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##             main     #219      +/-   ##
==========================================
- Coverage   82.15%   81.56%   -0.59%     
==========================================
  Files          59       59              
  Lines        5323     5386      +63     
==========================================
+ Hits         4373     4393      +20     
- Misses        950      993      +43     

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[lilyminium]

Any reason for this if you're using openff.units anyway?

[mattwthompson]

I'm happy to define it with the units package, I chose to use implicit floats here because

• The tensor/jacobian math that makes the observables variable generated by load_remote_observables, also much or all of tyff.mm._opys, uses floats without unit tags
• that's how the math is done in compute_properties

In this case, I mostly left it as a hard-coded float because this conversion factor is exactly 4.184 and there isn't any rounding

[mattwthompson]

We are being asked to believe that this outage only affected 3% of pull requests https://www.githubstatus.com/incidents/1xzmt89vv61l